CONFLIST DUA        DUABK DUA01 DUA+1 

NATOM    DUABK      0
NATOM    DUA01      2
NATOM    DUA+1      2

IATOM    DUA01 CU1  0
IATOM    DUA01 CU2  1
IATOM    DUA+1 CU1  0
IATOM    DUA+1 CU2  1

ATOMNAME DUA01    0 CU1 
ATOMNAME DUA01    1 CU2 
ATOMNAME DUA+1    0 CU1 
ATOMNAME DUA+1    1 CU2 

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  DUA01 CU1  ion       0    CU2 
CONNECT  DUA01 CU2  ion       0    CU1 
CONNECT  DUA+1 CU1  ion       0    CU2 
CONNECT  DUA+1 CU2  ion       0    CU1

#3.Atom Parameters: Partial Charges and Radii
# Radii(vdw) were collected from http://www.webelements.com/
RADIUS   DUA   CU1  1.45
RADIUS   DUA   CU2  1.45

CHARGE   DUA01 CU1  1.00
CHARGE   DUA01 CU2  1.00
CHARGE   DUA+1 CU1  1.50
CHARGE   DUA+1 CU2  1.50
